Chemical Properties of Benzoic acid, 5-bromo-2-chloro-, ethyl ester

InChI

InChI=1S/C9H8BrClO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3

InChI Key

AMGWDYLEMSMUIO-UHFFFAOYSA-N

Formula

C9H8BrClO2

SMILES

CCOC(=O)c1cc(Br)ccc1Cl

Molecular Weight¹

263.52

Other Names

• ethyl 5-bromo-2-chlorobenzoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.98; 384.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.58910e+01
Coefficient B			6.51120e-01
Coefficient C			-3.60120e-04
Coefficient D			5.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.98	J/mol×K	273.00	Calculated Property
Cp,gas	223.72	J/mol×K	353.78	Calculated Property
Cp,gas	255.56	J/mol×K	434.56	Calculated Property
Cp,gas	283.68	J/mol×K	515.33	Calculated Property
Cp,gas	308.26	J/mol×K	596.11	Calculated Property
Cp,gas	329.49	J/mol×K	676.89	Calculated Property
Cp,gas	347.55	J/mol×K	757.67	Calculated Property
Cp,gas	362.61	J/mol×K	838.44	Calculated Property
Cp,gas	374.86	J/mol×K	919.22	Calculated Property
Cp,gas	384.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014007; 0.0002169]	Pa×s	[374.70; 586.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17339e+01
Coefficient B			1.93460e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			374.70
Temperature range, max.			586.67
η	0.0014007	Pa×s	374.70	Calculated Property
η	0.0010321	Pa×s	398.25	Calculated Property
η	0.0007869	Pa×s	421.80	Calculated Property
η	0.0006174	Pa×s	445.36	Calculated Property
η	0.0004964	Pa×s	468.91	Calculated Property
η	0.0004075	Pa×s	492.46	Calculated Property
η	0.0003406	Pa×s	516.01	Calculated Property
η	0.0002892	Pa×s	539.56	Calculated Property
η	0.0002489	Pa×s	563.12	Calculated Property
η	0.0002169	Pa×s	586.67	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 5-bromo-2-chloro-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.